Zelavespib
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
Molecular Identity
Zelavespib
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
PubChem CID: 9549213
2D Structure
Properties
C18H21IN6O2S
Molecular Formula
512.40
Molecular Weight
g/mol
512.0491
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
520
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)NIsomeric SMILES
SMILES: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)NSynonyms(20)
PU-H71873436-91-0ZelavespibPU-H 71PUH-71PU-H-7106IVK87M049H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-DTXSID202362888-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(propan-2-yl)amino]propyl}-9H-purin-6-aminePUH718-((6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl)-9-(3-((propan-2-yl)amino)propyl)-9H-purin-6-amineRefChem:177153Hsp90 Inhibitor PU-H71DTXCID20158779
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Zelavespib
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